SCHEMBL5448753

SCHEMBL5448753

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccccc4)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
PTPN7 P35236 2/20 0.49
PDE10A Q9Y233 2/20 0.43
MET P08581 1/20 0.42
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5470088 0.98 CNR2 (0.48) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5451967 0.98 CNR2 (0.50) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5455263 0.95 CNR2 (0.48) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5444330 0.93 PDE10A (0.44) CNR2PTPN7PDE10ADRD3DRD2
SCHEMBL14411430 0.93 CNR2 (0.44) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5451165 0.92 PDE10A (0.52) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5441547 0.92 PTPN7 (0.47) CNR2PTPN7PDE10AMETTSHR
SCHEMBL5463330 0.92 PDE10A (0.51) CNR2PTPN7PDE10AMETDRD3
SCHEMBL5452292 0.91 CNR2 (0.46) CNR2PTPN7PDE10ADRD2DRD4
SCHEMBL5444434 0.90 CNR2 (0.52) CNR2PDE10ADRD3DRD2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR CNR2 106/4885PTPN7 592/4885PDE10A 514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.